autodock

Summary

• Module Name: autodock

• Support Level: Secondary Support

• Software Access Level: Open Access

• Home Page: http://autodock.scripps.edu

Software Description

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

General Linux

To run Autdock commands (i.e., the CLI) interactively in a Linux environment run the command(s):

module load autodock
autodock4 -p filename

or

autogrid4 -p filename

To run AutoDock Tools (GUI) interactively in a Linux environment run the command(s):

module load autodock/4.2
adt

The GUI for versions 4.2.6 and later have been migrated to a separate package, mgltools.